Receptor
PDB id Resolution Class Description Source Keywords
1ac4 2.1 Å EC: 1.11.1.5 VARIATION IN THE STRENGTH OF A CH TO O HYDROGEN BOND IN AN ARTIFICIAL PROTEIN CAVITY (2,3,4-TRIMETHYL-1,3-THIAZOLE) SACCHAROMYCES CEREVISIAE OXIDOREDUCTASE PEROXIDASE TRANSIT PEPTIDE
Ref.: VARIATION IN STRENGTH OF AN UNCONVENTIONAL C-H TO O HYDROGEN BOND IN AN ENGINEERED PROTEIN CAVITY J.AM.CHEM.SOC. V. 119 626 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HEM A:295;
 Part of Protein;
 none;
 submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
TMT A:296;
 Valid;
 none;
 submit data
128.215 C6 H10 N S Cc1cs...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5U61 1.22 Å EC: 1.11.1.5 CCP GATELESS CAVITY SACCHAROMYCES CEREVISIAE (STRAIN RM11-ORGANISM_COMMON: BAKER-prime S YEAST MODEL SYSTEM CYTOCHROME C PEROXIDASE GIST DESOLVATION DOLIGAND BINDING OXIDOREDUCTASE
Ref.: TESTING INHOMOGENEOUS SOLVATION THEORY IN STRUCTURE LIGAND DISCOVERY. PROC. NATL. ACAD. SCI. V. 114 E6839 2017 U.S.A.
Members (79)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4JPL - 4JP C7 H6 N2 c1cc2c(cc[....
2 2EUS - ABN C7 H9 N c1ccc(cc1)....
3 2RBV - 278 C6 H10 N2 Cn1cccc1CN
4 2EUU - BVG C4 H6 N2 O c1cnc([nH]....
5 1AEH - 24T C4 H6 N2 S Cc1csc(n1)....
6 5U5X Kd = 1.3 uM TP5 C5 H6 N2 S [H]/N=C(c1....
7 4JM6 - LG3 C4 H6 N4 c1cnc(nc1N....
8 4JQM - 1LQ C8 H7 N3 c1ccc2c(c1....
9 5UG2 Kd ~ 712 uM 86J C8 H8 F N3 Cc1c(n2cc(....
10 2RBZ - 282 C6 H7 N O COc1cccnc1
11 2RC1 - 285 C6 H13 N O CC1[C@H](O....
12 1AEU - 2MZ C4 H6 N2 Cc1[nH]ccn....
13 1AED - DTI C5 H8 N S Cc1csc[n+]....
14 4JMZ Kd = 288 uM 1M2 C8 H9 N3 CNc1[nH]c2....
15 2AS4 Kd = 7.7 mM 3FA C6 H5 F O2 c1cc(c(c(c....
16 4JM9 - LG5 C6 H10 N2 CN1CC=CC(=....
17 1AEK - IDM C8 H9 N c1ccc2c(c1....
18 5U5Y Kd = 522 uM 7W4 C8 H9 N3 Cc1c(n2ccc....
19 1AEV - AMT C3 H4 N2 S c1csc(n1)N
20 4A78 - JZ3 C7 H8 O2 COc1ccccc1....
21 1CMP Kd = 0.027 mM DMI C5 H9 N2 Cc1[nH+]cc....
22 2AS6 - 1CB C5 H11 N C1CCC(C1)N
23 5U61 Kd = 0.04 uM 7WG C6 H9 N3 c1c([nH]c(....
24 2EUP Kd = 0.04 mM LG4 C6 H8 N2 Cc1ccc(nc1....
25 2RBY - 280 C5 H6 N2 O Cn1cncc1C=....
26 4XV5 - BZI C7 H6 N2 c1ccc2c(c1....
27 1CCI - DMI C5 H9 N2 Cc1[nH+]cc....
28 1RYC - BZI C7 H6 N2 c1ccc2c(c1....
29 5U5Z Kd = 3472 uM 7VP C10 H10 N2 Cc1c[nH]c(....
30 2AS3 Kd = 4.1 mM IPH C6 H6 O c1ccc(cc1)....
31 4XV8 - BEN C7 H8 N2 [H]/N=C(c1....
32 1KXM Kd = 0.14 mM BZI C7 H6 N2 c1ccc2c(c1....
33 2EUN Kd = 0.05 mM LG3 C4 H6 N4 c1cnc(nc1N....
34 4XV7 - 1LQ C8 H7 N3 c1ccc2c(c1....
35 4JQK - 1LN C7 H11 N2 O C1=CC=[N](....
36 2AS2 - 2IM C5 H10 N2 C1CCNC(=N)....
37 2EUQ Kd = 0.05 mM BVC C5 H7 N S c1cscc1CN
38 4A6Z - JZ3 C7 H8 O2 COc1ccccc1....
39 1AEB - 3MT C4 H6 N S C[n+]1ccsc....
40 4JQJ - 1LM C9 H8 N2 c1ccc2c(c1....
41 4JMA - 3FA C6 H5 F O2 c1cc(c(c(c....
42 1AET - 1MZ C4 H7 N2 Cn1cc[nH+]....
43 2X08 - ASC C6 H8 O6 C([C@@H]([....
44 2AS1 Kd = 0.02 mM TP5 C5 H6 N2 S [H]/N=C(c1....
45 1AEJ - NVI C5 H7 N2 C=C[n+]1cc....
46 2Y5A Kd = 0.055 mM 3AP C5 H7 N2 c1cc(c[nH+....
47 1AEO - 2AP C5 H7 N2 c1cc[nH+]c....
48 2EUT - BVF C6 H8 N2 Cc1ccnc(c1....
49 2RBU - 273 C6 H12 N2 [H]/N=C(C1....
50 4A71 - IPH C6 H6 O c1ccc(cc1)....
51 3EXB - EXB GLY ALA ALA NH2 n/a n/a
52 4JQN - HBA C7 H6 O2 c1cc(ccc1C....
53 5U5V Kd = 29.6 uM 7WA C7 H7 N3 c1cc(c2c(c....
54 5U5U Kd = 619 uM NTN C6 H7 N3 c1cnccc1C(....
55 2RC0 - 284 C6 H12 N2 C[C@H]1CCN....
56 4JPU - BEN C7 H8 N2 [H]/N=C(c1....
57 1AC8 - TMZ C6 H10 N S Cc1c(sc[n+....
58 1AEQ - 2EZ C5 H8 N2 CCc1[nH]cc....
59 2RBT - 271 C8 H11 N CNCc1ccccc....
60 2ANZ Kd = 0.06 mM 26D C5 H7 N3 c1cc(nc(c1....
61 1AEF - 3AP C5 H7 N2 c1cc(c[nH+....
62 5U60 - 7VS C9 H9 N3 c1ccc2c(c1....
63 4XV4 Kd = 68 mM 25T C4 H7 N2 S Cc1c[nH+]c....
64 1AEM - MPI C7 H7 N2 c1cc[n+]2c....
65 4JPT - Q24 C8 H8 N4 c1ccc2c(c1....
66 2RBX - 3AY C4 H7 N5 c1c(nc(nc1....
67 4JM8 - 26D C5 H7 N3 c1cc(nc(c1....
68 4JMW - IPH C6 H6 O c1ccc(cc1)....
69 2RBW - 275 C7 H11 N2 Cc1ccc(c[n....
70 2RC2 - 286 C8 H10 N C[n+]1cccc....
71 1AEN - 25T C4 H7 N2 S Cc1c[nH+]c....
72 2V2E - ISZ C6 H5 N3 O [H]/N=N/C(....
73 5U5W Kd = 154 uM 7W1 C10 H10 N2 Cc1cnc2ccc....
74 4JM5 - 25T C4 H7 N2 S Cc1c[nH+]c....
75 2EUO - LG5 C6 H10 N2 CN1CC=CC(=....
76 1AEG - 4AP C5 H7 N2 c1c[nH+]cc....
77 2AQD - DA1 C5 H7 N3 c1cc(ncc1N....
78 1AC4 - TMT C6 H10 N S Cc1csc([n+....
79 2EUR - PY7 C6 H7 N O c1cnccc1CO
70% Homology Family (79)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4JPL - 4JP C7 H6 N2 c1cc2c(cc[....
2 2EUS - ABN C7 H9 N c1ccc(cc1)....
3 2RBV - 278 C6 H10 N2 Cn1cccc1CN
4 2EUU - BVG C4 H6 N2 O c1cnc([nH]....
5 1AEH - 24T C4 H6 N2 S Cc1csc(n1)....
6 5U5X Kd = 1.3 uM TP5 C5 H6 N2 S [H]/N=C(c1....
7 4JM6 - LG3 C4 H6 N4 c1cnc(nc1N....
8 4JQM - 1LQ C8 H7 N3 c1ccc2c(c1....
9 5UG2 Kd ~ 712 uM 86J C8 H8 F N3 Cc1c(n2cc(....
10 2RBZ - 282 C6 H7 N O COc1cccnc1
11 2RC1 - 285 C6 H13 N O CC1[C@H](O....
12 1AEU - 2MZ C4 H6 N2 Cc1[nH]ccn....
13 1AED - DTI C5 H8 N S Cc1csc[n+]....
14 4JMZ Kd = 288 uM 1M2 C8 H9 N3 CNc1[nH]c2....
15 2AS4 Kd = 7.7 mM 3FA C6 H5 F O2 c1cc(c(c(c....
16 4JM9 - LG5 C6 H10 N2 CN1CC=CC(=....
17 1AEK - IDM C8 H9 N c1ccc2c(c1....
18 5U5Y Kd = 522 uM 7W4 C8 H9 N3 Cc1c(n2ccc....
19 1AEV - AMT C3 H4 N2 S c1csc(n1)N
20 4A78 - JZ3 C7 H8 O2 COc1ccccc1....
21 1CMP Kd = 0.027 mM DMI C5 H9 N2 Cc1[nH+]cc....
22 2AS6 - 1CB C5 H11 N C1CCC(C1)N
23 5U61 Kd = 0.04 uM 7WG C6 H9 N3 c1c([nH]c(....
24 2EUP Kd = 0.04 mM LG4 C6 H8 N2 Cc1ccc(nc1....
25 2RBY - 280 C5 H6 N2 O Cn1cncc1C=....
26 4XV5 - BZI C7 H6 N2 c1ccc2c(c1....
27 1CCI - DMI C5 H9 N2 Cc1[nH+]cc....
28 1RYC - BZI C7 H6 N2 c1ccc2c(c1....
29 5U5Z Kd = 3472 uM 7VP C10 H10 N2 Cc1c[nH]c(....
30 2AS3 Kd = 4.1 mM IPH C6 H6 O c1ccc(cc1)....
31 4XV8 - BEN C7 H8 N2 [H]/N=C(c1....
32 1KXM Kd = 0.14 mM BZI C7 H6 N2 c1ccc2c(c1....
33 2EUN Kd = 0.05 mM LG3 C4 H6 N4 c1cnc(nc1N....
34 4XV7 - 1LQ C8 H7 N3 c1ccc2c(c1....
35 4JQK - 1LN C7 H11 N2 O C1=CC=[N](....
36 2AS2 - 2IM C5 H10 N2 C1CCNC(=N)....
37 2EUQ Kd = 0.05 mM BVC C5 H7 N S c1cscc1CN
38 4A6Z - JZ3 C7 H8 O2 COc1ccccc1....
39 1AEB - 3MT C4 H6 N S C[n+]1ccsc....
40 4JQJ - 1LM C9 H8 N2 c1ccc2c(c1....
41 4JMA - 3FA C6 H5 F O2 c1cc(c(c(c....
42 1AET - 1MZ C4 H7 N2 Cn1cc[nH+]....
43 2X08 - ASC C6 H8 O6 C([C@@H]([....
44 2AS1 Kd = 0.02 mM TP5 C5 H6 N2 S [H]/N=C(c1....
45 1AEJ - NVI C5 H7 N2 C=C[n+]1cc....
46 2Y5A Kd = 0.055 mM 3AP C5 H7 N2 c1cc(c[nH+....
47 1AEO - 2AP C5 H7 N2 c1cc[nH+]c....
48 2EUT - BVF C6 H8 N2 Cc1ccnc(c1....
49 2RBU - 273 C6 H12 N2 [H]/N=C(C1....
50 4A71 - IPH C6 H6 O c1ccc(cc1)....
51 3EXB - EXB GLY ALA ALA NH2 n/a n/a
52 4JQN - HBA C7 H6 O2 c1cc(ccc1C....
53 5U5V Kd = 29.6 uM 7WA C7 H7 N3 c1cc(c2c(c....
54 5U5U Kd = 619 uM NTN C6 H7 N3 c1cnccc1C(....
55 2RC0 - 284 C6 H12 N2 C[C@H]1CCN....
56 4JPU - BEN C7 H8 N2 [H]/N=C(c1....
57 1AC8 - TMZ C6 H10 N S Cc1c(sc[n+....
58 1AEQ - 2EZ C5 H8 N2 CCc1[nH]cc....
59 2RBT - 271 C8 H11 N CNCc1ccccc....
60 2ANZ Kd = 0.06 mM 26D C5 H7 N3 c1cc(nc(c1....
61 1AEF - 3AP C5 H7 N2 c1cc(c[nH+....
62 5U60 - 7VS C9 H9 N3 c1ccc2c(c1....
63 4XV4 Kd = 68 mM 25T C4 H7 N2 S Cc1c[nH+]c....
64 1AEM - MPI C7 H7 N2 c1cc[n+]2c....
65 4JPT - Q24 C8 H8 N4 c1ccc2c(c1....
66 2RBX - 3AY C4 H7 N5 c1c(nc(nc1....
67 4JM8 - 26D C5 H7 N3 c1cc(nc(c1....
68 4JMW - IPH C6 H6 O c1ccc(cc1)....
69 2RBW - 275 C7 H11 N2 Cc1ccc(c[n....
70 2RC2 - 286 C8 H10 N C[n+]1cccc....
71 1AEN - 25T C4 H7 N2 S Cc1c[nH+]c....
72 2V2E - ISZ C6 H5 N3 O [H]/N=N/C(....
73 5U5W Kd = 154 uM 7W1 C10 H10 N2 Cc1cnc2ccc....
74 4JM5 - 25T C4 H7 N2 S Cc1c[nH+]c....
75 2EUO - LG5 C6 H10 N2 CN1CC=CC(=....
76 1AEG - 4AP C5 H7 N2 c1c[nH+]cc....
77 2AQD - DA1 C5 H7 N3 c1cc(ncc1N....
78 1AC4 - TMT C6 H10 N S Cc1csc([n+....
79 2EUR - PY7 C6 H7 N O c1cnccc1CO
50% Homology Family (80)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4JPL - 4JP C7 H6 N2 c1cc2c(cc[....
2 2EUS - ABN C7 H9 N c1ccc(cc1)....
3 2RBV - 278 C6 H10 N2 Cn1cccc1CN
4 2EUU - BVG C4 H6 N2 O c1cnc([nH]....
5 1AEH - 24T C4 H6 N2 S Cc1csc(n1)....
6 5U5X Kd = 1.3 uM TP5 C5 H6 N2 S [H]/N=C(c1....
7 4JM6 - LG3 C4 H6 N4 c1cnc(nc1N....
8 4JQM - 1LQ C8 H7 N3 c1ccc2c(c1....
9 5UG2 Kd ~ 712 uM 86J C8 H8 F N3 Cc1c(n2cc(....
10 2RBZ - 282 C6 H7 N O COc1cccnc1
11 2RC1 - 285 C6 H13 N O CC1[C@H](O....
12 1AEU - 2MZ C4 H6 N2 Cc1[nH]ccn....
13 1AED - DTI C5 H8 N S Cc1csc[n+]....
14 4JMZ Kd = 288 uM 1M2 C8 H9 N3 CNc1[nH]c2....
15 2AS4 Kd = 7.7 mM 3FA C6 H5 F O2 c1cc(c(c(c....
16 4JM9 - LG5 C6 H10 N2 CN1CC=CC(=....
17 1AEK - IDM C8 H9 N c1ccc2c(c1....
18 5U5Y Kd = 522 uM 7W4 C8 H9 N3 Cc1c(n2ccc....
19 1AEV - AMT C3 H4 N2 S c1csc(n1)N
20 4A78 - JZ3 C7 H8 O2 COc1ccccc1....
21 1CMP Kd = 0.027 mM DMI C5 H9 N2 Cc1[nH+]cc....
22 2AS6 - 1CB C5 H11 N C1CCC(C1)N
23 5U61 Kd = 0.04 uM 7WG C6 H9 N3 c1c([nH]c(....
24 2EUP Kd = 0.04 mM LG4 C6 H8 N2 Cc1ccc(nc1....
25 2RBY - 280 C5 H6 N2 O Cn1cncc1C=....
26 4XV5 - BZI C7 H6 N2 c1ccc2c(c1....
27 1CCI - DMI C5 H9 N2 Cc1[nH+]cc....
28 1RYC - BZI C7 H6 N2 c1ccc2c(c1....
29 5U5Z Kd = 3472 uM 7VP C10 H10 N2 Cc1c[nH]c(....
30 2AS3 Kd = 4.1 mM IPH C6 H6 O c1ccc(cc1)....
31 4XV8 - BEN C7 H8 N2 [H]/N=C(c1....
32 1KXM Kd = 0.14 mM BZI C7 H6 N2 c1ccc2c(c1....
33 2EUN Kd = 0.05 mM LG3 C4 H6 N4 c1cnc(nc1N....
34 4XV7 - 1LQ C8 H7 N3 c1ccc2c(c1....
35 4JQK - 1LN C7 H11 N2 O C1=CC=[N](....
36 2AS2 - 2IM C5 H10 N2 C1CCNC(=N)....
37 2EUQ Kd = 0.05 mM BVC C5 H7 N S c1cscc1CN
38 4A6Z - JZ3 C7 H8 O2 COc1ccccc1....
39 1AEB - 3MT C4 H6 N S C[n+]1ccsc....
40 4JQJ - 1LM C9 H8 N2 c1ccc2c(c1....
41 4JMA - 3FA C6 H5 F O2 c1cc(c(c(c....
42 1AET - 1MZ C4 H7 N2 Cn1cc[nH+]....
43 2X08 - ASC C6 H8 O6 C([C@@H]([....
44 2AS1 Kd = 0.02 mM TP5 C5 H6 N2 S [H]/N=C(c1....
45 1AEJ - NVI C5 H7 N2 C=C[n+]1cc....
46 2Y5A Kd = 0.055 mM 3AP C5 H7 N2 c1cc(c[nH+....
47 1AEO - 2AP C5 H7 N2 c1cc[nH+]c....
48 2EUT - BVF C6 H8 N2 Cc1ccnc(c1....
49 2RBU - 273 C6 H12 N2 [H]/N=C(C1....
50 4A71 - IPH C6 H6 O c1ccc(cc1)....
51 3EXB - EXB GLY ALA ALA NH2 n/a n/a
52 4JQN - HBA C7 H6 O2 c1cc(ccc1C....
53 5U5V Kd = 29.6 uM 7WA C7 H7 N3 c1cc(c2c(c....
54 5U5U Kd = 619 uM NTN C6 H7 N3 c1cnccc1C(....
55 2RC0 - 284 C6 H12 N2 C[C@H]1CCN....
56 4JPU - BEN C7 H8 N2 [H]/N=C(c1....
57 1AC8 - TMZ C6 H10 N S Cc1c(sc[n+....
58 1AEQ - 2EZ C5 H8 N2 CCc1[nH]cc....
59 2RBT - 271 C8 H11 N CNCc1ccccc....
60 2ANZ Kd = 0.06 mM 26D C5 H7 N3 c1cc(nc(c1....
61 1AEF - 3AP C5 H7 N2 c1cc(c[nH+....
62 5U60 - 7VS C9 H9 N3 c1ccc2c(c1....
63 4XV4 Kd = 68 mM 25T C4 H7 N2 S Cc1c[nH+]c....
64 1AEM - MPI C7 H7 N2 c1cc[n+]2c....
65 4JPT - Q24 C8 H8 N4 c1ccc2c(c1....
66 2RBX - 3AY C4 H7 N5 c1c(nc(nc1....
67 4JM8 - 26D C5 H7 N3 c1cc(nc(c1....
68 4JMW - IPH C6 H6 O c1ccc(cc1)....
69 2RBW - 275 C7 H11 N2 Cc1ccc(c[n....
70 2RC2 - 286 C8 H10 N C[n+]1cccc....
71 1AEN - 25T C4 H7 N2 S Cc1c[nH+]c....
72 2V2E - ISZ C6 H5 N3 O [H]/N=N/C(....
73 5U5W Kd = 154 uM 7W1 C10 H10 N2 Cc1cnc2ccc....
74 4JM5 - 25T C4 H7 N2 S Cc1c[nH+]c....
75 2EUO - LG5 C6 H10 N2 CN1CC=CC(=....
76 1AEG - 4AP C5 H7 N2 c1c[nH+]cc....
77 2AQD - DA1 C5 H7 N3 c1cc(ncc1N....
78 1AC4 - TMT C6 H10 N S Cc1csc([n+....
79 2EUR - PY7 C6 H7 N O c1cnccc1CO
80 2VCF - ISZ C6 H5 N3 O [H]/N=N/C(....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: TMT; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 TMT 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: TMT; Similar ligands found: 648
No: Ligand Similarity coefficient
1 TMZ 1.0000
2 4XX 1.0000
3 3ZQ 0.9893
4 PYG 0.9883
5 MBD 0.9813
6 3FA 0.9807
7 2MY 0.9806
8 2C9 0.9801
9 3MH 0.9798
10 3MC 0.9797
11 FLM 0.9796
12 GMN 0.9786
13 FFP 0.9779
14 TM4 0.9779
15 2CM 0.9777
16 3CE 0.9767
17 6MH 0.9763
18 DUB 0.9752
19 40O 0.9736
20 XYP 0.9710
21 LXC 0.9690
22 CAQ 0.9683
23 94N 0.9668
24 VAL 0.9664
25 OXE 0.9663
26 L89 0.9659
27 CYH 0.9659
28 4JU 0.9653
29 92Z 0.9642
30 KIV 0.9637
31 CXL 0.9630
32 CRS 0.9621
33 V1L 0.9615
34 8LG 0.9614
35 DGY 0.9614
36 2MH 0.9612
37 XYS 0.9600
38 2AF 0.9600
39 FP2 0.9588
40 IPH 0.9588
41 25T 0.9583
42 JZ0 0.9575
43 LG4 0.9575
44 1AN 0.9573
45 RCO 0.9572
46 URF 0.9569
47 HAI 0.9566
48 CEJ 0.9564
49 285 0.9564
50 1MC 0.9561
51 2CH 0.9560
52 HYN 0.9559
53 24T 0.9558
54 WBU 0.9553
55 TDR 0.9549
56 MBN 0.9548
57 LG3 0.9547
58 CYT 0.9546
59 5UC 0.9545
60 MAK 0.9544
61 3AP 0.9544
62 WOT 0.9543
63 HTS 0.9543
64 93Q 0.9539
65 76X 0.9539
66 938 0.9536
67 BEW 0.9535
68 284 0.9533
69 DFB 0.9531
70 25R 0.9527
71 1DH 0.9525
72 3CH 0.9523
73 PYD 0.9522
74 ICP 0.9522
75 4AP 0.9521
76 2IM 0.9519
77 PCR 0.9516
78 PXY 0.9514
79 URA 0.9513
80 KSW 0.9512
81 HVK 0.9509
82 6X8 0.9509
83 HQE 0.9508
84 2AP 0.9508
85 280 0.9506
86 A2Q 0.9505
87 XYD 0.9502
88 1XX 0.9500
89 GXE 0.9498
90 LGA 0.9498
91 A1U 0.9498
92 DXX 0.9498
93 9PO 0.9496
94 26D 0.9492
95 HGQ 0.9492
96 BVF 0.9491
97 HRZ 0.9491
98 ECE 0.9488
99 DA1 0.9487
100 2KT 0.9486
101 8GF 0.9485
102 TH0 0.9485
103 MB3 0.9482
104 AHR 0.9482
105 FPN 0.9479
106 PLQ 0.9478
107 2AC 0.9478
108 MCT 0.9477
109 XBZ 0.9475
110 B3R 0.9474
111 DTI 0.9473
112 E60 0.9472
113 LG5 0.9467
114 4JO 0.9466
115 HIU 0.9466
116 34A 0.9464
117 JZ2 0.9463
118 4JJ 0.9462
119 4ZE 0.9462
120 2MP 0.9461
121 4HS 0.9460
122 HEW 0.9458
123 4CL 0.9456
124 HSL 0.9455
125 RSF 0.9455
126 5MH 0.9454
127 4CH 0.9453
128 MMZ 0.9447
129 8CL 0.9446
130 DMG 0.9446
131 4HO 0.9444
132 MWM 0.9439
133 4JN 0.9438
134 43M 0.9438
135 BR9 0.9436
136 TTO 0.9433
137 BML 0.9429
138 HHN 0.9429
139 DUC 0.9415
140 XIX 0.9411
141 H3M 0.9411
142 MZG 0.9409
143 M3T 0.9407
144 27Y 0.9402
145 23A 0.9399
146 F81 0.9395
147 MWJ 0.9394
148 1PT 0.9390
149 4H2 0.9389
150 7EX 0.9388
151 JZ3 0.9387
152 CIG 0.9386
153 SER 0.9384
154 2YU 0.9383
155 5JC 0.9382
156 NK 0.9379
157 AZF 0.9377
158 NEQ 0.9371
159 IFM 0.9369
160 ARB 0.9368
161 HT4 0.9367
162 KG7 0.9365
163 TM7 0.9362
164 PIH 0.9358
165 TLD 0.9357
166 ICC 0.9357
167 IUR 0.9354
168 YTB 0.9353
169 IOL 0.9352
170 DSN 0.9342
171 CYS 0.9341
172 R8A 0.9341
173 64K 0.9338
174 ALO 0.9336
175 HHQ 0.9334
176 MLA 0.9332
177 4AX 0.9330
178 P3K 0.9327
179 OXZ 0.9317
180 HPY 0.9315
181 P2D 0.9315
182 HGW 0.9312
183 MLI 0.9312
184 J1Z 0.9309
185 0R0 0.9305
186 IDH 0.9305
187 FPY 0.9303
188 282 0.9295
189 AMC 0.9294
190 23W 0.9294
191 DMI 0.9289
192 FPI 0.9289
193 3PY 0.9283
194 MRY 0.9281
195 0MK 0.9277
196 9TY 0.9277
197 Y8I 0.9271
198 SEJ 0.9270
199 YAN 0.9260
200 93B 0.9260
201 0TR 0.9260
202 7CZ 0.9255
203 RIB 0.9250
204 RIP 0.9248
205 L60 0.9248
206 ARA 0.9241
207 3MT 0.9236
208 1CB 0.9234
209 3XX 0.9233
210 SYN 0.9231
211 JZ1 0.9227
212 QOS 0.9225
213 286 0.9223
214 AMT 0.9223
215 MZW 0.9220
216 YHO 0.9217
217 BAQ 0.9217
218 THR 0.9210
219 HBX 0.9207
220 ABN 0.9203
221 MZ0 0.9203
222 FYU 0.9201
223 1AB 0.9200
224 NBE 0.9196
225 HY3 0.9190
226 275 0.9187
227 HMH 0.9187
228 DEN 0.9186
229 PY7 0.9180
230 BZF 0.9179
231 PYR 0.9179
232 2RA 0.9177
233 FLA 0.9171
234 OXQ 0.9170
235 FUC 0.9167
236 GVH 0.9166
237 EDG 0.9164
238 BZI 0.9164
239 BTE 0.9162
240 FUL 0.9161
241 PYF 0.9159
242 LAC 0.9159
243 IND 0.9157
244 OXM 0.9156
245 R2B 0.9154
246 APY 0.9152
247 0R1 0.9150
248 JIF 0.9145
249 4JP 0.9141
250 ADE 0.9140
251 T6C 0.9139
252 A3B 0.9139
253 0CT 0.9139
254 DBB 0.9139
255 GLC 0.9133
256 4MZ 0.9133
257 47J 0.9129
258 MPI 0.9126
259 6UA 0.9126
260 C5J 0.9125
261 JFD 0.9125
262 60P 0.9124
263 ABA 0.9124
264 G6D 0.9124
265 BP9 0.9123
266 3TR 0.9121
267 1MR 0.9121
268 GBD 0.9120
269 2DR 0.9118
270 35C 0.9116
271 HBA 0.9112
272 F05 0.9112
273 HPA 0.9107
274 2MZ 0.9103
275 DFU 0.9102
276 NVI 0.9099
277 4DX 0.9097
278 LZ1 0.9096
279 278 0.9095
280 PRO 0.9094
281 R1X 0.9093
282 KYD 0.9093
283 SWD 0.9090
284 IMR 0.9089
285 PYJ 0.9087
286 1MZ 0.9086
287 OHG 0.9086
288 4VP 0.9086
289 M2H 0.9086
290 ZZT 0.9085
291 GBL 0.9080
292 260 0.9078
293 HOW 0.9077
294 BUO 0.9075
295 HMU 0.9075
296 2AI 0.9072
297 LDU 0.9071
298 ATQ 0.9070
299 IDM 0.9069
300 4JL 0.9068
301 24B 0.9066
302 5AC 0.9065
303 BNZ 0.9065
304 PHB 0.9060
305 5ZE 0.9059
306 PAF 0.9059
307 9HX 0.9058
308 6HQ 0.9058
309 5MP 0.9057
310 XXR 0.9056
311 3DM 0.9055
312 0PY 0.9055
313 BYZ 0.9054
314 13X 0.9054
315 B20 0.9054
316 5KX 0.9053
317 OXL 0.9044
318 9EW 0.9044
319 7MH 0.9042
320 AX2 0.9040
321 SVN 0.9039
322 JZ6 0.9039
323 5Y9 0.9038
324 9DA 0.9036
325 1AC 0.9034
326 HUI 0.9034
327 4XR 0.9033
328 PYM 0.9031
329 FCA 0.9030
330 SAL 0.9030
331 6MP 0.9029
332 9CL 0.9027
333 GAG 0.9025
334 NOJ 0.9025
335 03W 0.9024
336 GOO 0.9023
337 ES3 0.9019
338 MR3 0.9018
339 DTU 0.9016
340 HLR 0.9015
341 3AY 0.9013
342 DCY 0.9013
343 9X7 0.9010
344 8H8 0.9010
345 B24 0.9007
346 HVQ 0.9003
347 P1R 0.8997
348 PM6 0.8993
349 PYZ 0.8992
350 NSP 0.8989
351 G2F 0.8988
352 LER 0.8983
353 7HP 0.8982
354 BZX 0.8979
355 DCD 0.8978
356 6AI 0.8977
357 0RW 0.8976
358 WDL 0.8976
359 ALA 0.8972
360 TBP 0.8971
361 DAB 0.8970
362 B53 0.8969
363 1WG 0.8967
364 FOA 0.8967
365 DAL 0.8967
366 C2A 0.8966
367 PHZ 0.8965
368 2ZX 0.8963
369 JZ9 0.8963
370 2OP 0.8960
371 MLT 0.8959
372 BVC 0.8959
373 C2N 0.8958
374 BP1 0.8958
375 RP7 0.8957
376 PYC 0.8955
377 RM4 0.8951
378 ABE 0.8951
379 5AN 0.8947
380 2ZV 0.8946
381 7WA 0.8945
382 3U4 0.8945
383 FUF 0.8944
384 OXD 0.8944
385 C2B 0.8942
386 GOL 0.8940
387 6F0 0.8940
388 HGY 0.8937
389 ES4 0.8936
390 BE2 0.8936
391 4JM 0.8934
392 H8N 0.8934
393 MZY 0.8932
394 TC7 0.8932
395 4SV 0.8931
396 150 0.8930
397 6M4 0.8928
398 2PC 0.8928
399 10L 0.8927
400 FCB 0.8926
401 JBE 0.8925
402 IFL 0.8922
403 FBA 0.8919
404 265 0.8917
405 DTL 0.8913
406 1WD 0.8913
407 14O 0.8911
408 ADK 0.8911
409 5MB 0.8909
410 MMU 0.8907
411 GRE 0.8906
412 5H1 0.8903
413 HSE 0.8903
414 F60 0.8902
415 ERH 0.8901
416 BEZ 0.8900
417 5MI 0.8900
418 BR8 0.8898
419 2CQ 0.8896
420 MEU 0.8895
421 BVG 0.8894
422 45C 0.8893
423 HBS 0.8890
424 2K4 0.8890
425 3SK 0.8890
426 ES6 0.8889
427 ES9 0.8888
428 7B4 0.8887
429 FUB 0.8887
430 3Z7 0.8886
431 AKB 0.8885
432 VNJ 0.8883
433 ADZ 0.8883
434 TZC 0.8882
435 F4Z 0.8880
436 6M1 0.8879
437 ILE 0.8879
438 11S 0.8877
439 BEN 0.8877
440 25W 0.8877
441 6M9 0.8876
442 NOY 0.8876
443 L3Q 0.8876
444 1DU 0.8876
445 TP5 0.8872
446 H4N 0.8872
447 JAE 0.8869
448 3ZS 0.8869
449 TFB 0.8865
450 YCP 0.8863
451 JBN 0.8862
452 TH7 0.8861
453 MSN 0.8860
454 6PC 0.8858
455 CRN 0.8858
456 NBZ 0.8857
457 FK1 0.8857
458 JBK 0.8856
459 6SP 0.8855
460 NAK 0.8855
461 192 0.8851
462 AAE 0.8850
463 82I 0.8849
464 3M0 0.8845
465 1DW 0.8845
466 AGK 0.8844
467 JKE 0.8842
468 3HA 0.8842
469 C21 0.8841
470 NIS 0.8840
471 BAM 0.8839
472 PCA 0.8838
473 SMV 0.8835
474 NCA 0.8835
475 KPL 0.8832
476 RNS 0.8831
477 4ZC 0.8829
478 DBH 0.8828
479 EQT 0.8827
480 8NY 0.8825
481 MFB 0.8822
482 NPY 0.8821
483 QUZ 0.8818
484 3F0 0.8816
485 TCZ 0.8816
486 273 0.8816
487 EXO 0.8814
488 GYE 0.8813
489 3OH 0.8811
490 P92 0.8809
491 2XX 0.8808
492 3RK 0.8807
493 270 0.8806
494 LMR 0.8805
495 IP0 0.8804
496 JAB 0.8803
497 67N 0.8801
498 MAN 0.8800
499 7WV 0.8800
500 IT2 0.8798
501 2EZ 0.8796
502 3MA 0.8794
503 BAE 0.8794
504 JZ5 0.8794
505 H76 0.8793
506 GIF 0.8790
507 2HA 0.8789
508 M1A 0.8789
509 DIE 0.8788
510 PAE 0.8788
511 GUN 0.8777
512 NIO 0.8775
513 PAV 0.8774
514 TF4 0.8772
515 AX7 0.8771
516 ITN 0.8768
517 XAN 0.8766
518 LCN 0.8765
519 HHA 0.8765
520 ASO 0.8760
521 KOJ 0.8760
522 9DG 0.8759
523 1XN 0.8757
524 R8S 0.8757
525 GIO 0.8757
526 NTN 0.8756
527 4PW 0.8755
528 2MI 0.8754
529 PRS 0.8747
530 PZA 0.8747
531 SJ5 0.8747
532 2CK 0.8745
533 SAR 0.8744
534 261 0.8743
535 AZA 0.8741
536 69O 0.8738
537 CP 0.8736
538 BAL 0.8735
539 O7U 0.8732
540 VGL 0.8731
541 F5B 0.8731
542 7HQ 0.8730
543 RAM 0.8730
544 2A7 0.8725
545 8GC 0.8723
546 PBC 0.8721
547 RUU 0.8719
548 M1E 0.8719
549 MAE 0.8717
550 HCS 0.8717
551 XQ0 0.8715
552 FP1 0.8713
553 ABV 0.8713
554 TAR 0.8705
555 A2F 0.8704
556 Z6J 0.8703
557 NMJ 0.8703
558 32O 0.8701
559 HX3 0.8698
560 YH7 0.8697
561 UNU 0.8695
562 I3A 0.8694
563 DMJ 0.8694
564 14J 0.8691
565 1XM 0.8686
566 XUL 0.8684
567 OAA 0.8681
568 HIO 0.8680
569 141 0.8678
570 6GU 0.8674
571 LRH 0.8670
572 SS1 0.8670
573 12M 0.8668
574 TLA 0.8668
575 MNM 0.8667
576 HH5 0.8667
577 39A 0.8666
578 RB5 0.8665
579 NPO 0.8664
580 9YL 0.8664
581 QSC 0.8664
582 IGA 0.8664
583 6AP 0.8664
584 S76 0.8663
585 CFP 0.8662
586 1LM 0.8659
587 BHA 0.8658
588 5NU 0.8658
589 4M0 0.8657
590 DOB 0.8654
591 DX4 0.8652
592 ISN 0.8651
593 FQI 0.8649
594 FA0 0.8644
595 GAL 0.8644
596 SRT 0.8643
597 FAN 0.8639
598 6KX 0.8638
599 AC0 0.8638
600 AZG 0.8638
601 5CU 0.8637
602 7W4 0.8636
603 BOA 0.8636
604 PRI 0.8635
605 5Q0 0.8634
606 JPZ 0.8632
607 290 0.8632
608 SS2 0.8631
609 ALQ 0.8630
610 ES1 0.8626
611 BCP 0.8622
612 ZZ3 0.8618
613 HQY 0.8617
614 IPB 0.8616
615 SIN 0.8615
616 JBH 0.8614
617 KKN 0.8614
618 PBE 0.8613
619 1LQ 0.8613
620 LZM 0.8611
621 0CU 0.8609
622 FW5 0.8609
623 4YS 0.8607
624 GAB 0.8604
625 3NT 0.8604
626 5SG 0.8602
627 ITU 0.8602
628 1NP 0.8601
629 HYP 0.8599
630 BUA 0.8594
631 N5J 0.8593
632 42A 0.8591
633 XQG 0.8590
634 1SQ 0.8587
635 5IQ 0.8586
636 NVA 0.8584
637 5WV 0.8580
638 DGJ 0.8577
639 B57 0.8574
640 ES0 0.8560
641 5HN 0.8560
642 FDB 0.8529
643 KJY 0.8525
644 3HB 0.8520
645 3AB 0.8517
646 Q88 0.8516
647 G5V 0.8516
648 OVV 0.8511
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5U61; Ligand: 7WG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5u61.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
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